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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:S-methyl-L-ergothioneine
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Accession:CHEBI:76620 term browser browse the term
Definition:An amino acid betaine that is ergothioneine in which the hydrogen attached to the sulfur is replaced by a methyl group. It has been isolated from the deepwater (500-1,600 m) marine sponge Macandrewia azorica.
Synonyms:exact_synonym: (2S)-3-(2-methylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate;   (2S)-3-[2-(methylsulfanyl)-1H-imidazol-4-yl]-2-(trimethylammonio)propanoate
 related_synonym: (+)-L-methylergothioneine;   (2S)-3-[2-(methylsulfanyl)-1H-imidazol-4-yl]-2-(trimethylammonio)propionate;   7S-(+)-methylergothioneine;   Formula=C10H17N3O2S;   InChI=1S/C10H17N3O2S/c1-13(2,3)8(9(14)15)5-7-6-11-10(12-7)16-4/h6,8H,5H2,1-4H3,(H-,11,12,14,15)/t8-/m0/s1;   InChIKey=GVQNHIYBRMFCMS-QMMMGPOBSA-N;   L-S-methylergothioneine;   S-methylergothioneine;   SMILES=[N+](C)([C@H](C(=O)[O-])CC=1NC(SC)=NC1)(C)C
 alt_id: CHEBI:90131
 xref: PMID:15340692;   PMID:24167631;   PMID:8615839


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Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      chemical role 21407
        antioxidant 16394
          ergothioneine 11
            S-methyl-L-ergothioneine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    main group molecular entity 22104
                      s-block molecular entity 21729
                        hydrogen molecular entity 21646
                          hydrides 20758
                            inorganic hydride 18672
                              pnictogen hydride 18652
                                nitrogen hydride 18519
                                  azane 18426
                                    ammonia 18425
                                      organic amino compound 18425
                                        amino acid 16428
                                          alpha-amino acid 14205
                                            L-alpha-amino acid 13317
                                              L-histidine 12
                                                L-histidine derivative 11
                                                  ergothioneine 11
                                                    S-methyl-L-ergothioneine 0
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